(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C24H17N3O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C24H17N3O2Cl2
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1
InChI	InChI=1S/C24H17Cl2N3O2/c25-17-5-7-20(21(26)12-17)23-8-6-18(31-23)11-16(13-27)24(30)28-10-9-15-14-29-22-4-2-1-3-19(15)22/h1-8,11-12,14,29H,9-10H2,(H,28,30)
InChIK	HDUOYIBAVLBGJT-UHFFFAOYSA-N
TotalMolweight	450.324
Molweight	450.324
MonoisotopicMass	449.069781
CLogP	5.3181
CLogS	-7.155
H Acceptors	5
H Donors	2
TotalSurfaceArea	340.63
Relative PSA	0.19423
PolarSurfaceArea	81.82
Druglikeness	0.031766
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

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